core.modules.transforms

core.modules.transforms#

Copyright (c) Meta Platforms, Inc. and affiliates.

This source code is licensed under the MIT license found in the LICENSE file in the root directory of this source tree.

Classes#

DataTransforms

Functions#

_get_molecule_cell(data_object)

common_transform(...)

ensure_tensor(data_object, keys)

ani1x_transform(...)

trans1x_transform(...)

spice_transform(...)

qmof_transform(...)

qm9_transform(...)

omol_transform(...)

stress_reshape_transform(...)

asedb_transform(...)

decompose_tensor(...)

Module Contents#

core.modules.transforms._get_molecule_cell(data_object: fairchem.core.datasets.atomic_data.AtomicData)#
core.modules.transforms.common_transform(data_object: fairchem.core.datasets.atomic_data.AtomicData, config) → fairchem.core.datasets.atomic_data.AtomicData#
core.modules.transforms.ensure_tensor(data_object, keys)#
core.modules.transforms.ani1x_transform(data_object: fairchem.core.datasets.atomic_data.AtomicData, config) → fairchem.core.datasets.atomic_data.AtomicData#
core.modules.transforms.trans1x_transform(data_object: fairchem.core.datasets.atomic_data.AtomicData, config) → fairchem.core.datasets.atomic_data.AtomicData#
core.modules.transforms.spice_transform(data_object: fairchem.core.datasets.atomic_data.AtomicData, config) → fairchem.core.datasets.atomic_data.AtomicData#
core.modules.transforms.qmof_transform(data_object: fairchem.core.datasets.atomic_data.AtomicData, config) → fairchem.core.datasets.atomic_data.AtomicData#
core.modules.transforms.qm9_transform(data_object: fairchem.core.datasets.atomic_data.AtomicData, config) → fairchem.core.datasets.atomic_data.AtomicData#
core.modules.transforms.omol_transform(data_object: fairchem.core.datasets.atomic_data.AtomicData, config) → fairchem.core.datasets.atomic_data.AtomicData#
core.modules.transforms.stress_reshape_transform(data_object: fairchem.core.datasets.atomic_data.AtomicData, config) → fairchem.core.datasets.atomic_data.AtomicData#
core.modules.transforms.asedb_transform(data_object: fairchem.core.datasets.atomic_data.AtomicData, config) → fairchem.core.datasets.atomic_data.AtomicData#
class core.modules.transforms.DataTransforms(config)#
config#
__call__(data_object)#
core.modules.transforms.decompose_tensor(data_object, config) → fairchem.core.datasets.atomic_data.AtomicData#
Contents